1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine

C12H22N4O — CID 113281984

IUPAC1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2nnc(C(C)(C)C)o2)C1
InChIInChI=1S/C12H22N4O/c1-12(2,3)11-15-14-10(17-11)8-16-6-5-9(7-16)13-4/h9,13H,5-8H2,1-4H3
InChIKeyATFAWLRYKUUFEC-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.16
Rot. Bonds3

About 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine

1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 113281984) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID113281984
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2nnc(C(C)(C)C)o2)C1
InChIInChI=1S/C12H22N4O/c1-12(2,3)11-15-14-10(17-11)8-16-6-5-9(7-16)13-4/h9,13H,5-8H2,1-4H3
InChIKeyATFAWLRYKUUFEC-UHFFFAOYSA-N
XLogP1.16
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267470
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperidin-4-amine
CID 79867727
2-tert-butyl-5-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 94114626
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63032224
1-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]ethanamine
CID 103976515
4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine
CID 126810423
[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methanamine
CID 114398947
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493821
2-tert-butyl-5-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 71892441
ethyl (3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidine-3-carboxylate
CID 81338403
5-[1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 71927210
(5R)-5-[(3S)-1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]-3,5-dimethylimidazolidine-2,4-dione
CID 96513827

Frequently Asked Questions

What is the IUPAC name of 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine (CID 113281984) is 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine is CNC1CCN(Cc2nnc(C(C)(C)C)o2)C1.
What is the InChIKey of 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is ATFAWLRYKUUFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,3)11-15-14-10(17-11)8-16-6-5-9(7-16)13-4/h9,13H,5-8H2,1-4H3.
What are the key properties of 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 113281984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).